| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.6 | Very low | 60.5 | Low | 133 Ų | 133 | 95.5 Ų | 95.5 | 66% | 0.655 | 51% | 0.509 | S | S | * | . | 0 | 131.3 | 0 | -132.4 | 164.5 | -164.6 | 0 | 0 | 105.4 | E3 M6 L40 | M1-E3 PolarHBondContact O-N 3.06Å; M1-M6 HydrophobicContact CE-CE 3.33Å; M1-M6 HydrophobicContact CE-CG 3.86Å; M1-M6 HydrophobicContact CE-SD 3.46Å; M1-M6 WeakPolarHBondContact CE-SD 3.43Å; M1-M6 HydrophobicContact CG-CG 3.75Å; M1-M6 HydrophobicContact SD-CE 3.75Å; M1-M6 HydrophobicContact SD-CG 3.54Å; M1-M6 VanDerWaalsContact SD-CG 3.54Å; M1-M6 HydrophobicContact SD-SD 3.97Å; M1-L40 HydrophobicContact CE-CD2 3.82Å; M1-L40 HydrophobicContact CG-CD2 4.43Å | |||
| 2 | E | 53.5 | Low | 61.2 | Low | 136 Ų | 136 | 97.1 Ų | 97.1 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | trans | -61.5 | 100.5 | 162.2 | -75.1 | 86.3 | -168.1 | 0 | 0 | 106.4 | N4 C5 | E2-N4 PolarHBondContact O-N 3.4Å; E2-C5 PolarHBondContact O-N 2.68Å | ||
| 3 | E | 57.6 | Low | 61.8 | Low | 137 Ų | 137 | 101.1 Ų | 101.1 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -41.6 | -37.4 | 171.7 | -174.3 | 176.1 | 172.1 | 0 | 0 | 110.5 | M1 C5 M6 N7 | M1-E3 PolarHBondContact O-N 3.06Å; E3-C5 VanDerWaalsContact C-N 3.33Å; E3-C5 PolarHBondContact O-N 3.22Å; E3-M6 PolarHBondContact O-N 3.01Å; E3-N7 HydrophobicContact CG-CB 4.34Å; E3-N7 CarbonylContact O-C 3.53Å; E3-N7 WeakPolarHBondContact O-CA 3.23Å; E3-N7 VanDerWaalsContact O-CB 3.3Å; E3-N7 WeakPolarHBondContact O-CB 3.49Å; E3-N7 PolarHBondContact O-N 3.41Å |
| 4 | N | 57.3 | Low | 62.6 | Low | 124 Ų | 124 | 103.4 Ų | 103.4 | 66% | 0.663 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.5 | -30.5 | 177.3 | -58 | -17.1 | 0 | 0 | 0 | 115.6 | E2 T8 | E2-N4 PolarHBondContact O-N 3.4Å; N4-T8 WeakPolarHBondContact O-CA 3.18Å; N4-T8 VanDerWaalsContact O-CG2 3.25Å; N4-T8 WeakPolarHBondContact O-CG2 3.46Å |
| 5 | C | 58.3 | Low | 63.6 | Low | 83 Ų | 83 | 98.1 Ų | 98.1 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -83.3 | -32.5 | 177.8 | -82.7 | 0 | 0 | 0 | 0 | 112.4 | E2 E3 | E2-C5 PolarHBondContact O-N 2.68Å; E3-C5 VanDerWaalsContact C-N 3.33Å; E3-C5 PolarHBondContact O-N 3.22Å |
| 6 | M | 58.7 | Low | 64.7 | Low | 59 Ų | 59 | 101.5 Ų | 101.5 | 29% | 0.291 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -91.6 | -30.9 | -173.2 | -64.4 | -68.5 | -67 | 0 | 0 | 112.7 | M1 E3 A36 | M1-M6 HydrophobicContact CE-CE 3.33Å; M1-M6 HydrophobicContact CE-CG 3.86Å; M1-M6 HydrophobicContact CE-SD 3.46Å; M1-M6 WeakPolarHBondContact CE-SD 3.43Å; M1-M6 HydrophobicContact CG-CG 3.75Å; M1-M6 HydrophobicContact SD-CE 3.75Å; M1-M6 HydrophobicContact SD-CG 3.54Å; M1-M6 VanDerWaalsContact SD-CG 3.54Å; M1-M6 HydrophobicContact SD-SD 3.97Å; E3-M6 PolarHBondContact O-N 3.01Å; M6-A36 HydrophobicContact CE-CB 3.27Å; M6-A36 HydrophobicContact SD-CB 3.17Å; M6-A36 WeakPolarHBondContact SD-CB 3.19Å |
| 7 | N | 65.2 | Low | 65.8 | Low | 94 Ų | 94 | 103.5 Ų | 103.5 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -128 | 56.4 | -177.5 | -170.2 | 42.1 | 0 | 0 | 0 | 107 | E3 | E3-N7 HydrophobicContact CG-CB 4.34Å; E3-N7 CarbonylContact O-C 3.53Å; E3-N7 WeakPolarHBondContact O-CA 3.23Å; E3-N7 VanDerWaalsContact O-CB 3.3Å; E3-N7 WeakPolarHBondContact O-CB 3.49Å; E3-N7 PolarHBondContact O-N 3.41Å |
| 8 | T | 63.7 | Low | 66.8 | Low | 26 Ų | 26 | 102 Ų | 102 | 16% | 0.16 | 52% | 0.519 | C | S | . | . | trans | -54.5 | 150.6 | 170.7 | 75.4 | 0 | 0 | 0 | 0 | 108 | N4 E10 A11 Y31 | N4-T8 WeakPolarHBondContact O-CA 3.18Å; N4-T8 VanDerWaalsContact O-CG2 3.25Å; N4-T8 WeakPolarHBondContact O-CG2 3.46Å; T8-E10 WeakPolarHBondContact CB-OE2 3.36Å; T8-E10 PolarHBondContact O-N 3.01Å; T8-E10 PolarHBondContact OG1-OE2 3.18Å; T8-A11 VanDerWaalsContact O-CB 3.24Å; T8-A11 WeakPolarHBondContact O-CB 3.25Å; T8-A11 PolarHBondContact O-N 3.02Å; T8-A11 PolarHBondContact OG1-N 3.39Å; T8-Y31 HydrophobicContact CG2-CE2 4.49Å | ||
| 9 | P | 66.5 | Low | 67.8 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 75% | 0.747 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -24.9 | 179.9 | -27 | 35 | 0 | 0 | 0 | 114.1 | ||
| 10 | E | 67.3 | Low | 68.8 | Low | 121 Ų | 121 | 108.7 Ų | 108.7 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -13.4 | 178.4 | -46.5 | 76.5 | -167.2 | 0 | 0 | 113.9 | T8 K12 | T8-E10 WeakPolarHBondContact CB-OE2 3.36Å; T8-E10 PolarHBondContact O-N 3.01Å; T8-E10 PolarHBondContact OG1-OE2 3.18Å; E10-K12 PolarHBondContact O-N 2.68Å |
| 11 | A | 67.5 | Low | 69.3 | Low | 22 Ų | 22 | 107.7 Ų | 107.7 | 18% | 0.182 | 53% | 0.532 | C | S | . | . | trans | -66.8 | 130.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | T8 | T8-A11 VanDerWaalsContact O-CB 3.24Å; T8-A11 WeakPolarHBondContact O-CB 3.25Å; T8-A11 PolarHBondContact O-N 3.02Å; T8-A11 PolarHBondContact OG1-N 3.39Å | ||
| 12 | K | 69.1 | Low | 70.8 | Confident | 115 Ų | 115 | 109.9 Ų | 109.9 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | trans | -118.5 | 138.4 | 178.6 | -58.2 | -175.9 | 179.2 | 177.7 | 0 | 110.7 | E10 F14 | E10-K12 PolarHBondContact O-N 2.68Å; K12-F14 WeakPolarHBondContact CB-O 3.44Å; K12-F14 PolarHBondContact O-N 2.72Å | ||
| 13 | L | 69.4 | Low | 72.3 | Confident | 149 Ų | 149 | 108.9 Ų | 108.9 | 78% | 0.78 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -61.7 | -29.6 | 173.7 | -75 | 171.1 | 0 | 0 | 0 | 112.4 | R30 | L13-R30 VanDerWaalsContact O-CZ 3.27Å; L13-R30 PolarHBondContact O-NE 3.43Å; L13-R30 PolarHBondContact O-NH2 2.75Å |
| 14 | F | 72.9 | Confident | 73.4 | Confident | 133 Ų | 133 | 107 Ų | 107 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -136.9 | 143.1 | 179.6 | 65.5 | -81.9 | 0 | 0 | 0 | 110.3 | K12 H16 | K12-F14 WeakPolarHBondContact CB-O 3.44Å; K12-F14 PolarHBondContact O-N 2.72Å; F14-H16 AromaticContact CE2-CD2 3.9Å; F14-H16 AromaticContact CE2-CE1 3.79Å; F14-H16 AromaticContact CE2-NE2 3.36Å; F14-H16 WeakPolarHBondContact CE2-NE2 3.14Å |
| 15 | C | 78 | Confident | 74.4 | Confident | 24 Ų | 24 | 107.3 Ų | 107.3 | 16% | 0.162 | 53% | 0.525 | C | S | . | . | trans | -108.3 | 136.8 | 173.1 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | F17 A26 C28 | C15-F17 HydrophobicContact CB-CD2 4.35Å; C15-F17 HydrophobicContact CB-CE1 4.49Å; C15-F17 HydrophobicContact CB-CE2 3.66Å; C15-F17 HydrophobicContact CB-CZ 3.75Å; C15-F17 VanDerWaalsContact O-CD2 3.3Å; C15-F17 WeakPolarHBondContact O-CD2 3.33Å; C15-A26 HydrophobicContact CB-CB 4.1Å; C15-C28 WeakPolarHBondContact CA-SG 3.36Å; C15-C28 HydrophobicContact CB-CB 3.57Å; C15-C28 WeakPolarHBondContact CB-SG 3.17Å; C15-C28 WeakPolarHBondContact SG-CB 3.24Å; C15-C28 CovalentContact SG-SG 2.03Å; C15-C28 PolarHBondContact SG-SG 2.96Å | ||
| 16 | H | 81.5 | Confident | 75.3 | Confident | 153 Ų | 153 | 104.5 Ų | 104.5 | 71% | 0.708 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 116.9 | 170.8 | -73.4 | -68.6 | 0 | 0 | 0 | 109.5 | F14 | F14-H16 AromaticContact CE2-CD2 3.9Å; F14-H16 AromaticContact CE2-CE1 3.79Å; F14-H16 AromaticContact CE2-NE2 3.36Å; F14-H16 WeakPolarHBondContact CE2-NE2 3.14Å |
| 17 | F | 83.4 | Confident | 76.1 | Confident | 135 Ų | 135 | 108 Ų | 108 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 131.9 | 175.3 | -65.2 | -80.4 | 0 | 0 | 0 | 109.1 | C15 H21 A26 | C15-F17 HydrophobicContact CB-CD2 4.35Å; C15-F17 HydrophobicContact CB-CE1 4.49Å; C15-F17 HydrophobicContact CB-CE2 3.66Å; C15-F17 HydrophobicContact CB-CZ 3.75Å; C15-F17 VanDerWaalsContact O-CD2 3.3Å; C15-F17 WeakPolarHBondContact O-CD2 3.33Å; F17-H21 HydrophobicContact CB-CB 3.79Å; F17-H21 HydrophobicContact CD1-CB 3.82Å; F17-H21 HydrophobicContact CG-CB 4.15Å; F17-A26 HydrophobicContact CD1-CB 3.84Å; F17-A26 HydrophobicContact CE1-CB 3.69Å; F17-A26 HydrophobicContact CZ-CB 4.34Å |
| 18 | N | 83.8 | Confident | 76.5 | Confident | 77 Ų | 77 | 104 Ų | 104 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 173.8 | 167.7 | 65.3 | 40.8 | 0 | 0 | 0 | 109.9 | N20 H21 H24 | N18-N20 PolarHBondContact O-N 3.23Å; N18-N20 VanDerWaalsContact OD1-CA 3.3Å; N18-N20 WeakPolarHBondContact OD1-CA 3.43Å; N18-N20 PolarHBondContact OD1-N 3.42Å; N18-H21 PolarHBondContact O-N 3.11Å; N18-H21 PolarHBondContact OD1-N 3.35Å; N18-H24 WeakPolarHBondContact ND2-CB 3.16Å; N18-H24 PolarHBondContact ND2-ND1 3.32Å; N18-H24 VanDerWaalsContact ND2-ND1 3.17Å |
| 19 | R | 86 | Confident | 76.7 | Confident | 243 Ų | 243 | 107.8 Ų | 107.8 | 92% | 0.917 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24 | 179.9 | -68.4 | -174.2 | 179.5 | -174 | 0.1 | 113.3 | ||
| 20 | N | 86.5 | Confident | 76.6 | Confident | 95 Ų | 95 | 110.3 Ų | 110.3 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 41.9 | -179.6 | -68.7 | -10.5 | 0 | 0 | 0 | 112.6 | N18 F22 V23 H24 | N18-N20 PolarHBondContact O-N 3.23Å; N18-N20 VanDerWaalsContact OD1-CA 3.3Å; N18-N20 WeakPolarHBondContact OD1-CA 3.43Å; N18-N20 PolarHBondContact OD1-N 3.42Å; N20-F22 PolarHBondContact O-N 3.15Å; N20-V23 HydrophobicContact CB-CG2 3.77Å; N20-V23 VanDerWaalsContact O-CG2 3.28Å; N20-V23 WeakPolarHBondContact O-CG2 3.3Å; N20-V23 PolarHBondContact O-N 3.34Å; N20-H24 PolarHBondContact O-N 3.34Å |
| 21 | H | 80.2 | Confident | 76.5 | Confident | 87 Ų | 87 | 110 Ų | 110 | 40% | 0.403 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.2 | -174.6 | 65.6 | -89.9 | 0 | 0 | 0 | 115.8 | F17 N18 V23 | F17-H21 HydrophobicContact CB-CB 3.79Å; F17-H21 HydrophobicContact CD1-CB 3.82Å; F17-H21 HydrophobicContact CG-CB 4.15Å; N18-H21 PolarHBondContact O-N 3.11Å; N18-H21 PolarHBondContact OD1-N 3.35Å; H21-V23 VanDerWaalsContact C-N 3.31Å |
| 22 | F | 81.2 | Confident | 76.4 | Confident | 180 Ų | 180 | 113.4 Ų | 113.4 | 79% | 0.789 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.7 | 175.3 | -59.3 | -69.9 | 0 | 0 | 0 | 113.7 | N20 | N20-F22 PolarHBondContact O-N 3.15Š|
| 23 | V | 84.6 | Confident | 76.2 | Confident | 115 Ų | 115 | 114.6 Ų | 114.6 | 70% | 0.697 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | -20.5 | -176.2 | -73 | 0 | 0 | 0 | 0 | 112.7 | N20 H21 | N20-V23 HydrophobicContact CB-CG2 3.77Å; N20-V23 VanDerWaalsContact O-CG2 3.28Å; N20-V23 WeakPolarHBondContact O-CG2 3.3Å; N20-V23 PolarHBondContact O-N 3.34Å; H21-V23 VanDerWaalsContact C-N 3.31Å |
| 24 | H | 79.9 | Confident | 76.3 | Confident | 97 Ų | 97 | 110.4 Ų | 110.4 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -106.8 | 116 | -179.5 | -71.9 | -150.6 | 0 | 0 | 0 | 110.2 | N18 N20 | N18-H24 WeakPolarHBondContact ND2-CB 3.16Å; N18-H24 PolarHBondContact ND2-ND1 3.32Å; N18-H24 VanDerWaalsContact ND2-ND1 3.17Å; N20-H24 PolarHBondContact O-N 3.34Å |
| 25 | Y | 78.6 | Confident | 76.2 | Confident | 130 Ų | 130 | 108.7 Ų | 108.7 | 51% | 0.51 | 52% | 0.517 | S | S | . | . | trans | -60.5 | 134.7 | 172.6 | -178.4 | -121.3 | 0 | 0 | 0 | 111.3 | N27 H29 | Y25-N27 WeakPolarHBondContact CD1-OD1 3.5Å; Y25-N27 PolarHBondContact O-N 2.9Å; Y25-H29 AromaticContact CZ-CE1 3.97Å; Y25-H29 PolarHBondContact OH-CD2 3.17Å; Y25-H29 VanDerWaalsContact OH-CD2 3.29Å; Y25-H29 PolarHBondContact OH-CE1 2.9Å; Y25-H29 PolarHBondContact OH-ND1 3.16Å; Y25-H29 VanDerWaalsContact OH-ND1 3.17Å; Y25-H29 PolarHBondContact OH-NE2 3.28Å | ||
| 26 | A | 76.6 | Confident | 75.9 | Confident | 25 Ų | 25 | 108 Ų | 108 | 21% | 0.207 | 51% | 0.513 | C | S | . | . | trans | -77.1 | 2.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C15 F17 C28 | C15-A26 HydrophobicContact CB-CB 4.1Å; F17-A26 HydrophobicContact CD1-CB 3.84Å; F17-A26 HydrophobicContact CE1-CB 3.69Å; F17-A26 HydrophobicContact CZ-CB 4.34Å; A26-C28 HydrophobicContact CB-CB 4.21Å; A26-C28 WeakPolarHBondContact O-CB 3.44Å; A26-C28 PolarHBondContact O-N 3.32Å; A26-C28 VanDerWaalsContact O-N 3.12Å | ||
| 27 | N | 77.3 | Confident | 75.4 | Confident | 132 Ų | 132 | 102.6 Ų | 102.6 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 47.4 | 39.5 | -172.5 | -65.8 | -35.3 | 0 | 0 | 0 | 112.1 | Y25 | Y25-N27 WeakPolarHBondContact CD1-OD1 3.5Å; Y25-N27 PolarHBondContact O-N 2.9Å |
| 28 | C | 72 | Confident | 75.1 | Confident | 11 Ų | 11 | 101.2 Ų | 101.2 | 7% | 0.074 | 49% | 0.487 | C | S | . | . | trans | -150.8 | 119.8 | -171.1 | 173 | 0 | 0 | 0 | 0 | 108.1 | C15 A26 | C15-C28 WeakPolarHBondContact CA-SG 3.36Å; C15-C28 HydrophobicContact CB-CB 3.57Å; C15-C28 WeakPolarHBondContact CB-SG 3.17Å; C15-C28 WeakPolarHBondContact SG-CB 3.24Å; C15-C28 CovalentContact SG-SG 2.03Å; C15-C28 PolarHBondContact SG-SG 2.96Å; A26-C28 HydrophobicContact CB-CB 4.21Å; A26-C28 WeakPolarHBondContact O-CB 3.44Å; A26-C28 PolarHBondContact O-N 3.32Å; A26-C28 VanDerWaalsContact O-N 3.12Å | ||
| 29 | H | 69.1 | Low | 74.8 | Confident | 104 Ų | 104 | 102.2 Ų | 102.2 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | trans | -95.9 | 118.7 | 175.3 | -67.1 | -84.2 | 0 | 0 | 0 | 108.5 | Y25 Y31 | Y25-H29 AromaticContact CZ-CE1 3.97Å; Y25-H29 PolarHBondContact OH-CD2 3.17Å; Y25-H29 VanDerWaalsContact OH-CD2 3.29Å; Y25-H29 PolarHBondContact OH-CE1 2.9Å; Y25-H29 PolarHBondContact OH-ND1 3.16Å; Y25-H29 VanDerWaalsContact OH-ND1 3.17Å; Y25-H29 PolarHBondContact OH-NE2 3.28Å; H29-Y31 HydrophobicContact CB-CE2 4.34Å | ||
| 30 | R | 64 | Low | 74.2 | Confident | 169 Ų | 169 | 92.6 Ų | 92.6 | 64% | 0.638 | 46% | 0.459 | S | S | * | . | trans | -107.6 | 105.5 | 166.2 | -154.2 | -177.4 | -160.2 | -141.2 | 4.8 | 107 | L13 D32 | L13-R30 VanDerWaalsContact O-CZ 3.27Å; L13-R30 PolarHBondContact O-NE 3.43Å; L13-R30 PolarHBondContact O-NH2 2.75Å; R30-D32 PolarHBondContact O-N 3.43Å; R30-D32 VanDerWaalsContact O-N 3.14Å | ||
| 31 | Y | 65.7 | Low | 73.7 | Confident | 114 Ų | 114 | 88.1 Ų | 88.1 | 45% | 0.447 | 44% | 0.435 | S | S | . | . | trans | -71.7 | 107 | 167.1 | -61.3 | -77.4 | 0 | 0 | 0 | 106.6 | T8 H29 Q33 | T8-Y31 HydrophobicContact CG2-CE2 4.49Å; H29-Y31 HydrophobicContact CB-CE2 4.34Å; Y31-Q33 PolarHBondContact O-N 2.8Å | ||
| 32 | D | 65 | Low | 73.8 | Confident | 93 Ų | 93 | 88.3 Ų | 88.3 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | trans | -60.3 | 135.6 | 169 | -170.6 | -80.8 | 0 | 0 | 0 | 108.2 | R30 A34 I35 A36 | R30-D32 PolarHBondContact O-N 3.43Å; R30-D32 VanDerWaalsContact O-N 3.14Å; D32-A34 PolarHBondContact O-N 3.07Å; D32-A34 WeakPolarHBondContact OD1-CB 3.46Å; D32-A34 PolarHBondContact OD1-N 3.19Å; D32-I35 PolarHBondContact O-N 3.35Å; D32-A36 PolarHBondContact O-N 3.15Å | ||
| 33 | Q | 64.8 | Low | 73.5 | Confident | 140 Ų | 140 | 87.3 Ų | 87.3 | 65% | 0.654 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -52.9 | -27.9 | -178.4 | -167.9 | 174.3 | -0.3 | 0 | 0 | 111.7 | Y31 N37 | Y31-Q33 PolarHBondContact O-N 2.8Å; Q33-N37 VanDerWaalsContact O-CB 3.3Å; Q33-N37 WeakPolarHBondContact O-CB 3.5Å; Q33-N37 PolarHBondContact O-N 3.04Å; Q33-N37 PolarHBondContact O-ND2 3.23Å; Q33-N37 PolarHBondContact O-OD1 3.12Å |
| 34 | A | 70.8 | Confident | 73.3 | Confident | 61 Ų | 61 | 84 Ų | 84 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D32 N37 L38 | D32-A34 PolarHBondContact O-N 3.07Å; D32-A34 WeakPolarHBondContact OD1-CB 3.46Å; D32-A34 PolarHBondContact OD1-N 3.19Å; A34-N37 PolarHBondContact O-N 2.62Å; A34-L38 PolarHBondContact O-N 3.29Å |
| 35 | I | 72.2 | Confident | 73.3 | Confident | 98 Ų | 98 | 82 Ų | 82 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.5 | -44.8 | -179.7 | -65.3 | 177.1 | 0 | 0 | 0 | 109.7 | D32 N37 L38 L39 | D32-I35 PolarHBondContact O-N 3.35Å; I35-N37 PolarHBondContact O-N 2.9Å; I35-L38 WeakPolarHBondContact O-CB 3.25Å; I35-L38 PolarHBondContact O-N 3.4Å; I35-L38 VanDerWaalsContact O-N 3.15Å; I35-L39 HydrophobicContact CG2-CD1 4.23Å; I35-L39 HydrophobicContact CG2-CG 4.46Å; I35-L39 WeakPolarHBondContact O-CG 3.36Å; I35-L39 PolarHBondContact O-N 2.96Å |
| 36 | A | 70.5 | Confident | 73.2 | Confident | 9 Ų | 9 | 77.8 Ų | 77.8 | 7% | 0.074 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M6 D32 L38 L39 L40 | M6-A36 HydrophobicContact CE-CB 3.27Å; M6-A36 HydrophobicContact SD-CB 3.17Å; M6-A36 WeakPolarHBondContact SD-CB 3.19Å; D32-A36 PolarHBondContact O-N 3.15Å; A36-L38 PolarHBondContact O-N 3.48Å; A36-L39 PolarHBondContact O-N 2.89Å; A36-L40 WeakPolarHBondContact O-CB 3.3Å; A36-L40 PolarHBondContact O-N 3.48Å |
| 37 | N | 72.2 | Confident | 73.3 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 21% | 0.209 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.9 | -39 | 176 | -73.4 | -11.4 | 0 | 0 | 0 | 111.1 | Q33 A34 I35 A41 W51 | Q33-N37 VanDerWaalsContact O-CB 3.3Å; Q33-N37 WeakPolarHBondContact O-CB 3.5Å; Q33-N37 PolarHBondContact O-N 3.04Å; Q33-N37 PolarHBondContact O-ND2 3.23Å; Q33-N37 PolarHBondContact O-OD1 3.12Å; A34-N37 PolarHBondContact O-N 2.62Å; I35-N37 PolarHBondContact O-N 2.9Å; N37-A41 WeakPolarHBondContact O-CB 3.38Å; N37-A41 PolarHBondContact O-N 2.94Å; N37-W51 HydrophobicContact CB-CE3 4.01Å; N37-W51 HydrophobicContact CB-CZ3 4.03Å |
| 38 | L | 76.2 | Confident | 73.1 | Confident | 106 Ų | 106 | 73.7 Ų | 73.7 | 56% | 0.555 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 177.6 | -175.1 | 66.1 | 0 | 0 | 0 | 112.5 | A34 I35 A36 A41 N42 Y46 | A34-L38 PolarHBondContact O-N 3.29Å; I35-L38 WeakPolarHBondContact O-CB 3.25Å; I35-L38 PolarHBondContact O-N 3.4Å; I35-L38 VanDerWaalsContact O-N 3.15Å; A36-L38 PolarHBondContact O-N 3.48Å; L38-A41 PolarHBondContact O-N 3.26Å; L38-N42 WeakPolarHBondContact O-CB 3Å; L38-N42 PolarHBondContact O-N 3.45Å; L38-Y46 HydrophobicContact CD1-CE1 4.38Å |
| 39 | L | 77.4 | Confident | 73.2 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 52% | 0.518 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.7 | -68.1 | 175.8 | 0 | 0 | 0 | 111 | I35 A36 N42 Q43 | I35-L39 HydrophobicContact CG2-CD1 4.23Å; I35-L39 HydrophobicContact CG2-CG 4.46Å; I35-L39 WeakPolarHBondContact O-CG 3.36Å; I35-L39 PolarHBondContact O-N 2.96Å; A36-L39 PolarHBondContact O-N 2.89Å; L39-N42 PolarHBondContact O-N 3.43Å; L39-Q43 WeakPolarHBondContact O-CB 3.28Å; L39-Q43 PolarHBondContact O-N 2.86Å |
| 40 | L | 73.8 | Confident | 73.4 | Confident | 41 Ų | 41 | 82.7 Ų | 82.7 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 176 | -175.7 | 62.7 | 0 | 0 | 0 | 111.4 | M1 A36 N42 Q43 L44 W51 | M1-L40 HydrophobicContact CE-CD2 3.82Å; M1-L40 HydrophobicContact CG-CD2 4.43Å; A36-L40 WeakPolarHBondContact O-CB 3.3Å; A36-L40 PolarHBondContact O-N 3.48Å; L40-N42 VanDerWaalsContact C-N 3.31Å; L40-N42 PolarHBondContact O-N 3Å; L40-Q43 PolarHBondContact O-N 3.36Å; L40-L44 HydrophobicContact CD1-CD1 3.58Å; L40-L44 HydrophobicContact CD1-CG 3.93Å; L40-L44 HydrophobicContact CD2-CD1 4.32Å; L40-L44 HydrophobicContact CG-CD1 3.66Å; L40-L44 HydrophobicContact CG-CG 4.28Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.05Å; L40-L44 PolarHBondContact O-N 3.41Å; L40-W51 HydrophobicContact CD2-CB 3.67Å; L40-W51 HydrophobicContact CG-CB 3.94Å |
| 41 | A | 76.8 | Confident | 73.7 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | N37 L38 L44 G45 Y46 W51 | N37-A41 WeakPolarHBondContact O-CB 3.38Å; N37-A41 PolarHBondContact O-N 2.94Å; L38-A41 PolarHBondContact O-N 3.26Å; A41-L44 PolarHBondContact O-N 2.83Å; A41-G45 PolarHBondContact O-N 3.17Å; A41-Y46 HydrophobicContact CB-CD1 3.68Å; A41-Y46 HydrophobicContact CB-CE1 4.01Å; A41-Y46 HydrophobicContact CB-CG 4.42Å; A41-Y46 WeakPolarHBondContact O-CA 3.3Å; A41-Y46 PolarHBondContact O-N 2.98Å; A41-W51 HydrophobicContact CB-CD2 3.83Å; A41-W51 VanDerWaalsContact CB-CE2 3.46Å; A41-W51 HydrophobicContact CB-CE3 4.43Å; A41-W51 HydrophobicContact CB-CG 4.16Å; A41-W51 HydrophobicContact CB-CH2 4.34Å; A41-W51 HydrophobicContact CB-CZ2 3.76Å |
| 42 | N | 80.6 | Confident | 73.9 | Confident | 90 Ų | 90 | 72.1 Ų | 72.1 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 177.3 | -168.6 | -82 | 0 | 0 | 0 | 112.2 | L38 L39 L40 L44 G45 Y46 | L38-N42 WeakPolarHBondContact O-CB 3Å; L38-N42 PolarHBondContact O-N 3.45Å; L39-N42 PolarHBondContact O-N 3.43Å; L40-N42 VanDerWaalsContact C-N 3.31Å; L40-N42 PolarHBondContact O-N 3Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 3.14Å; N42-G45 PolarHBondContact O-N 3.01Å; N42-G45 VanDerWaalsContact O-N 3.15Å; N42-Y46 HydrophobicContact CB-CE2 4.29Å; N42-Y46 PolarHBondContact ND2-OH 2.99Å; N42-Y46 VanDerWaalsContact ND2-OH 3.11Å |
| 43 | Q | 76.5 | Confident | 74.3 | Confident | 159 Ų | 159 | 73.4 Ų | 73.4 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.8 | -37.5 | 178.5 | -175.4 | 68 | 10.1 | 0 | 0 | 112.5 | L39 L40 G45 | L39-Q43 WeakPolarHBondContact O-CB 3.28Å; L39-Q43 PolarHBondContact O-N 2.86Å; L40-Q43 PolarHBondContact O-N 3.36Å; Q43-G45 PolarHBondContact O-N 2.87Å |
| 44 | L | 80.2 | Confident | 74.6 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 17.4 | -178.9 | -61.7 | 178.3 | 0 | 0 | 0 | 113.3 | L40 A41 N42 Y46 N47 R50 W51 | L40-L44 HydrophobicContact CD1-CD1 3.58Å; L40-L44 HydrophobicContact CD1-CG 3.93Å; L40-L44 HydrophobicContact CD2-CD1 4.32Å; L40-L44 HydrophobicContact CG-CD1 3.66Å; L40-L44 HydrophobicContact CG-CG 4.28Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 VanDerWaalsContact O-CG 3.24Å; L40-L44 WeakPolarHBondContact O-CG 3.05Å; L40-L44 PolarHBondContact O-N 3.41Å; A41-L44 PolarHBondContact O-N 2.83Å; N42-L44 VanDerWaalsContact C-N 3.29Å; N42-L44 PolarHBondContact O-N 3.14Å; L44-Y46 PolarHBondContact O-N 2.89Å; L44-Y46 VanDerWaalsContact O-N 3.16Å; L44-N47 PolarHBondContact O-N 3.06Å; L44-N47 VanDerWaalsContact O-N 3.17Å; L44-R50 HydrophobicContact CD1-CB 3.57Å; L44-W51 HydrophobicContact CD1-CB 4.37Å |
| 45 | G | 79.2 | Confident | 74.7 | Confident | 55 Ų | 55 | 73.2 Ų | 73.2 | 57% | 0.567 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 20.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A41 N42 Q43 N47 | A41-G45 PolarHBondContact O-N 3.17Å; N42-G45 PolarHBondContact O-N 3.01Å; N42-G45 VanDerWaalsContact O-N 3.15Å; Q43-G45 PolarHBondContact O-N 2.87Å; G45-N47 PolarHBondContact O-N 3.26Å |
| 46 | Y | 77.3 | Confident | 74.7 | Confident | 42 Ų | 42 | 72.4 Ų | 72.4 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 29.7 | -173.4 | -60.6 | -96.3 | 0 | 0 | 0 | 114.5 | L38 A41 N42 L44 A48 F59 I61 | L38-Y46 HydrophobicContact CD1-CE1 4.38Å; A41-Y46 HydrophobicContact CB-CD1 3.68Å; A41-Y46 HydrophobicContact CB-CE1 4.01Å; A41-Y46 HydrophobicContact CB-CG 4.42Å; A41-Y46 WeakPolarHBondContact O-CA 3.3Å; A41-Y46 PolarHBondContact O-N 2.98Å; N42-Y46 HydrophobicContact CB-CE2 4.29Å; N42-Y46 PolarHBondContact ND2-OH 2.99Å; N42-Y46 VanDerWaalsContact ND2-OH 3.11Å; L44-Y46 PolarHBondContact O-N 2.89Å; L44-Y46 VanDerWaalsContact O-N 3.16Å; Y46-A48 PolarHBondContact O-N 2.89Å; Y46-F59 HydrophobicContact CD1-CE2 4.42Å; Y46-I61 HydrophobicContact CD1-CD1 3.77Å; Y46-I61 HydrophobicContact CD1-CG1 3.61Å; Y46-I61 HydrophobicContact CD2-CD1 3.75Å; Y46-I61 HydrophobicContact CD2-CG1 4.22Å; Y46-I61 HydrophobicContact CD2-CG2 4.4Å; Y46-I61 HydrophobicContact CE1-CG1 4.11Å; Y46-I61 HydrophobicContact CE2-CG2 4.22Å; Y46-I61 HydrophobicContact CG-CD1 3.29Å; Y46-I61 HydrophobicContact CG-CG1 3.69Å |
| 47 | N | 77.8 | Confident | 74.9 | Confident | 63 Ų | 63 | 81.1 Ų | 81.1 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | trans | -68.7 | 102.3 | 166.2 | -177 | -12 | 0 | 0 | 0 | 109.6 | L44 G45 E49 R50 | L44-N47 PolarHBondContact O-N 3.06Å; L44-N47 VanDerWaalsContact O-N 3.17Å; G45-N47 PolarHBondContact O-N 3.26Å; N47-E49 PolarHBondContact O-N 2.85Å; N47-E49 WeakPolarHBondContact OD1-CB 3.3Å; N47-E49 PolarHBondContact OD1-N 3.17Å; N47-R50 HydrophobicContact CB-CG 4.39Å; N47-R50 PolarHBondContact O-N 3.29Å; N47-R50 VanDerWaalsContact O-N 3.12Å | ||
| 48 | A | 72.5 | Confident | 75.2 | Confident | 8 Ų | 8 | 83.7 Ų | 83.7 | 7% | 0.066 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -52.4 | -37.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y46 R50 W51 S52 L55 F59 | Y46-A48 PolarHBondContact O-N 2.89Å; A48-R50 PolarHBondContact O-N 2.78Å; A48-W51 PolarHBondContact O-N 3.21Å; A48-S52 PolarHBondContact O-N 2.97Å; A48-S52 VanDerWaalsContact O-O 3.14Å; A48-S52 PolarHBondContact O-OG 2.03Å; A48-L55 VanDerWaalsContact CB-O 3.23Å; A48-L55 WeakPolarHBondContact CB-O 3.24Å; A48-F59 HydrophobicContact CB-CE1 3.48Å; A48-F59 VanDerWaalsContact CB-CE1 3.48Å; A48-F59 HydrophobicContact CB-CZ 3.72Å |
| 49 | E | 74.8 | Confident | 75.1 | Confident | 134 Ų | 134 | 81.8 Ų | 81.8 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -60.5 | -22.2 | -177.1 | -58.9 | -178.3 | 164.6 | 0 | 0 | 112.6 | N47 | N47-E49 PolarHBondContact O-N 2.85Å; N47-E49 WeakPolarHBondContact OD1-CB 3.3Å; N47-E49 PolarHBondContact OD1-N 3.17Å |
| 50 | R | 73.1 | Confident | 75 | Confident | 169 Ų | 169 | 81.3 Ų | 81.3 | 64% | 0.638 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -93.8 | -13.6 | -175.8 | -59.2 | -172.8 | 168.8 | -166.9 | -3.2 | 114.8 | L44 N47 A48 | L44-R50 HydrophobicContact CD1-CB 3.57Å; N47-R50 HydrophobicContact CB-CG 4.39Å; N47-R50 PolarHBondContact O-N 3.29Å; N47-R50 VanDerWaalsContact O-N 3.12Å; A48-R50 PolarHBondContact O-N 2.78Å |
| 51 | W | 71.1 | Confident | 74.9 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 17% | 0.17 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -19 | -174.8 | 66.6 | -90.9 | 0 | 0 | 0 | 114.6 | N37 L40 A41 L44 A48 F58 F59 | N37-W51 HydrophobicContact CB-CE3 4.01Å; N37-W51 HydrophobicContact CB-CZ3 4.03Å; L40-W51 HydrophobicContact CD2-CB 3.67Å; L40-W51 HydrophobicContact CG-CB 3.94Å; A41-W51 HydrophobicContact CB-CD2 3.83Å; A41-W51 VanDerWaalsContact CB-CE2 3.46Å; A41-W51 HydrophobicContact CB-CE3 4.43Å; A41-W51 HydrophobicContact CB-CG 4.16Å; A41-W51 HydrophobicContact CB-CH2 4.34Å; A41-W51 HydrophobicContact CB-CZ2 3.76Å; L44-W51 HydrophobicContact CD1-CB 4.37Å; A48-W51 PolarHBondContact O-N 3.21Å; W51-F58 AromaticContact CH2-CE2 3.49Å; W51-F58 HydrophobicContact CH2-CE2 3.49Å; W51-F58 VanDerWaalsContact CH2-CE2 3.49Å; W51-F58 AromaticContact CH2-CZ 3.32Å; W51-F58 HydrophobicContact CH2-CZ 3.32Å; W51-F58 HydrophobicContact CZ2-CE2 4.31Å; W51-F58 AromaticContact CZ2-CZ 3.8Å; W51-F58 HydrophobicContact CZ2-CZ 3.8Å; W51-F58 AromaticContact CZ3-CE2 3.9Å; W51-F58 HydrophobicContact CZ3-CE2 3.9Å; W51-F58 AromaticContact CZ3-CZ 3.71Å; W51-F58 HydrophobicContact CZ3-CZ 3.71Å; W51-F59 HydrophobicContact CH2-CD1 4.19Å; W51-F59 HydrophobicContact CH2-CE1 4.37Å; W51-F59 HydrophobicContact CH2-CG 4.47Å; W51-F59 AromaticContact CZ2-CD1 3.89Å; W51-F59 HydrophobicContact CZ2-CD1 3.89Å; W51-F59 HydrophobicContact CZ2-CD2 4.34Å; W51-F59 AromaticContact CZ2-CE1 3.65Å; W51-F59 HydrophobicContact CZ2-CE1 3.65Å; W51-F59 HydrophobicContact CZ2-CE2 4.12Å; W51-F59 HydrophobicContact CZ2-CG 4.24Å; W51-F59 AromaticContact CZ2-CZ 3.77Å; W51-F59 HydrophobicContact CZ2-CZ 3.77Å |
| 52 | S | 69 | Low | 74.9 | Confident | 17 Ų | 17 | 92.6 Ų | 92.6 | 12% | 0.119 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -109.9 | 148.8 | 168.2 | 72.4 | 0 | 0 | 0 | 0 | 107.6 | A48 N54 L55 F58 | A48-S52 PolarHBondContact O-N 2.97Å; A48-S52 VanDerWaalsContact O-O 3.14Å; A48-S52 PolarHBondContact O-OG 2.03Å; S52-N54 PolarHBondContact O-N 3.03Å; S52-L55 PolarHBondContact OG-O 2.86Å; S52-F58 VanDerWaalsContact CB-CE1 3.49Å; S52-F58 VanDerWaalsContact CB-CZ 3.41Å; S52-F58 WeakPolarHBondContact OG-CE1 3.19Å |
| 53 | S | 74 | Confident | 74.5 | Confident | 120 Ų | 120 | 97.1 Ų | 97.1 | 84% | 0.839 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -65.2 | 62.9 | -179 | -53.2 | 0 | 0 | 0 | 0 | 112.7 | L55 | S53-L55 PolarHBondContact O-N 3.28Š|
| 54 | N | 70 | Confident | 74.5 | Confident | 119 Ų | 119 | 97 Ų | 97 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 59 | 19.4 | -175.8 | -148.2 | 15.2 | 0 | 0 | 0 | 115.9 | S52 | S52-N54 PolarHBondContact O-N 3.03Š|
| 55 | L | 73.5 | Confident | 74.1 | Confident | 78 Ų | 78 | 104.3 Ų | 104.3 | 41% | 0.408 | 52% | 0.515 | S | S | . | . | trans | -80.5 | 136.1 | 171 | -64.1 | 173.6 | 0 | 0 | 0 | 108.1 | A48 S52 S53 Y57 F58 | A48-L55 VanDerWaalsContact CB-O 3.23Å; A48-L55 WeakPolarHBondContact CB-O 3.24Å; S52-L55 PolarHBondContact OG-O 2.86Å; S53-L55 PolarHBondContact O-N 3.28Å; L55-Y57 HydrophobicContact CD2-CE1 4.44Å; L55-F58 HydrophobicContact CB-CD1 3.44Å; L55-F58 VanDerWaalsContact CB-CD1 3.44Å; L55-F58 HydrophobicContact CB-CE1 3.64Å; L55-F58 HydrophobicContact CB-CG 4.48Å; L55-F58 VanDerWaalsContact O-CE1 3.25Å; L55-F58 WeakPolarHBondContact O-CE1 3.23Å | ||
| 56 | S | 72 | Confident | 73.5 | Confident | 80 Ų | 80 | 106.1 Ų | 106.1 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | trans | -124.2 | -16.8 | 180 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 57 | Y | 75 | Confident | 73.2 | Confident | 192 Ų | 192 | 107.3 Ų | 107.3 | 75% | 0.753 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -104.5 | 14.5 | -169.9 | 54.9 | -94.3 | 0 | 0 | 0 | 114.5 | L55 | L55-Y57 HydrophobicContact CD2-CE1 4.44Š|
| 58 | F | 78.7 | Confident | 73 | Confident | 94 Ų | 94 | 109.6 Ų | 109.6 | 41% | 0.412 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -101.7 | -2.9 | -173.9 | 71 | -83.1 | 0 | 0 | 0 | 114.1 | W51 S52 L55 | W51-F58 AromaticContact CH2-CE2 3.49Å; W51-F58 HydrophobicContact CH2-CE2 3.49Å; W51-F58 VanDerWaalsContact CH2-CE2 3.49Å; W51-F58 AromaticContact CH2-CZ 3.32Å; W51-F58 HydrophobicContact CH2-CZ 3.32Å; W51-F58 HydrophobicContact CZ2-CE2 4.31Å; W51-F58 AromaticContact CZ2-CZ 3.8Å; W51-F58 HydrophobicContact CZ2-CZ 3.8Å; W51-F58 AromaticContact CZ3-CE2 3.9Å; W51-F58 HydrophobicContact CZ3-CE2 3.9Å; W51-F58 AromaticContact CZ3-CZ 3.71Å; W51-F58 HydrophobicContact CZ3-CZ 3.71Å; S52-F58 VanDerWaalsContact CB-CE1 3.49Å; S52-F58 VanDerWaalsContact CB-CZ 3.41Å; S52-F58 WeakPolarHBondContact OG-CE1 3.19Å; L55-F58 HydrophobicContact CB-CD1 3.44Å; L55-F58 VanDerWaalsContact CB-CD1 3.44Å; L55-F58 HydrophobicContact CB-CE1 3.64Å; L55-F58 HydrophobicContact CB-CG 4.48Å; L55-F58 VanDerWaalsContact O-CE1 3.25Å; L55-F58 WeakPolarHBondContact O-CE1 3.23Å |
| 59 | F | 73.9 | Confident | 73.1 | Confident | 66 Ų | 66 | 114.8 Ų | 114.8 | 29% | 0.289 | 59% | 0.593 | S | S | . | * | trans | -144.7 | 157.5 | 179.9 | 71.4 | -79 | 0 | 0 | 0 | 111.8 | Y46 A48 W51 I61 | Y46-F59 HydrophobicContact CD1-CE2 4.42Å; A48-F59 HydrophobicContact CB-CE1 3.48Å; A48-F59 VanDerWaalsContact CB-CE1 3.48Å; A48-F59 HydrophobicContact CB-CZ 3.72Å; W51-F59 HydrophobicContact CH2-CD1 4.19Å; W51-F59 HydrophobicContact CH2-CE1 4.37Å; W51-F59 HydrophobicContact CH2-CG 4.47Å; W51-F59 AromaticContact CZ2-CD1 3.89Å; W51-F59 HydrophobicContact CZ2-CD1 3.89Å; W51-F59 HydrophobicContact CZ2-CD2 4.34Å; W51-F59 AromaticContact CZ2-CE1 3.65Å; W51-F59 HydrophobicContact CZ2-CE1 3.65Å; W51-F59 HydrophobicContact CZ2-CE2 4.12Å; W51-F59 HydrophobicContact CZ2-CG 4.24Å; W51-F59 AromaticContact CZ2-CZ 3.77Å; W51-F59 HydrophobicContact CZ2-CZ 3.77Å; F59-I61 HydrophobicContact CD2-CG1 4.05Å; F59-I61 HydrophobicContact CE2-CD1 4.08Å; F59-I61 HydrophobicContact CE2-CG1 3.9Å | ||
| 60 | A | 75.4 | Confident | 72.7 | Confident | 89 Ų | 89 | 115.7 Ų | 115.7 | 74% | 0.736 | 60% | 0.595 | S | S | * | * | trans | -131.7 | 134.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 61 | I | 72.5 | Confident | 72.3 | Confident | 71 Ų | 71 | 114.1 Ų | 114.1 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | trans | -94.2 | 116.1 | 175.9 | -49.7 | 149.9 | 0 | 0 | 0 | 107.7 | Y46 F59 R63 | Y46-I61 HydrophobicContact CD1-CD1 3.77Å; Y46-I61 HydrophobicContact CD1-CG1 3.61Å; Y46-I61 HydrophobicContact CD2-CD1 3.75Å; Y46-I61 HydrophobicContact CD2-CG1 4.22Å; Y46-I61 HydrophobicContact CD2-CG2 4.4Å; Y46-I61 HydrophobicContact CE1-CG1 4.11Å; Y46-I61 HydrophobicContact CE2-CG2 4.22Å; Y46-I61 HydrophobicContact CG-CD1 3.29Å; Y46-I61 HydrophobicContact CG-CG1 3.69Å; F59-I61 HydrophobicContact CD2-CG1 4.05Å; F59-I61 HydrophobicContact CE2-CD1 4.08Å; F59-I61 HydrophobicContact CE2-CG1 3.9Å; I61-R63 HydrophobicContact CG2-CG 3.99Å | ||
| 62 | R | 76.9 | Confident | 72 | Confident | 208 Ų | 208 | 117 Ų | 117 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | trans | -106.8 | 104.6 | 168.4 | -58.1 | -173 | 107.5 | -173.2 | 5.2 | 108 | H64 | R62-H64 PolarHBondContact O-N 2.89Š| ||
| 63 | R | 71.6 | Confident | 71.6 | Confident | 185 Ų | 185 | 125.3 Ų | 125.3 | 70% | 0.698 | 65% | 0.653 | S | S | * | * | trans | -81.6 | 111.1 | 172.4 | -59.7 | -174.9 | -158.5 | -99.5 | 0.7 | 107.7 | I61 | I61-R63 HydrophobicContact CG2-CG 3.99Š| ||
| 64 | H | 75.7 | Confident | 70.8 | Confident | 156 Ų | 156 | 124.8 Ų | 124.8 | 72% | 0.722 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 154.2 | 163.8 | -67.4 | -87.2 | 0 | 0 | 0 | 108.5 | R62 S66 | R62-H64 PolarHBondContact O-N 2.89Å; H64-S66 PolarHBondContact O-N 3.07Å |
| 65 | Q | 72.7 | Confident | 69.9 | Low | 199 Ų | 199 | 123.7 Ų | 123.7 | 93% | 0.93 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 120 | 170.7 | -78.7 | -129.1 | -21.1 | 0 | 0 | 108.6 | ||
| 66 | S | 67.1 | Low | 69.3 | Low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136.8 | 170.3 | 68.9 | 0 | 0 | 0 | 0 | 107.8 | H64 A68 | H64-S66 PolarHBondContact O-N 3.07Å; S66-A68 PolarHBondContact O-N 3.43Å |
| 67 | S | 71 | Confident | 68.7 | Low | 68 Ų | 68 | 128 Ų | 128 | 48% | 0.476 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 138.4 | 165.8 | -179.8 | 0 | 0 | 0 | 0 | 109 | T69 F70 | S67-T69 WeakPolarHBondContact CB-OG1 3.33Å; S67-T69 PolarHBondContact O-N 3.18Å; S67-T69 PolarHBondContact OG-N 2.77Å; S67-T69 PolarHBondContact OG-OG1 2.94Å; S67-F70 WeakPolarHBondContact O-CB 3.42Å; S67-F70 PolarHBondContact O-N 3.25Å |
| 68 | A | 71.7 | Confident | 67.9 | Low | 110 Ų | 110 | 123.1 Ų | 123.1 | 91% | 0.909 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -12.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S66 | S66-A68 PolarHBondContact O-N 3.43Š|
| 69 | T | 75 | Confident | 66.4 | Low | 118 Ų | 118 | 126.1 Ų | 126.1 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -3.1 | 175.5 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | S67 N71 | S67-T69 WeakPolarHBondContact CB-OG1 3.33Å; S67-T69 PolarHBondContact O-N 3.18Å; S67-T69 PolarHBondContact OG-N 2.77Å; S67-T69 PolarHBondContact OG-OG1 2.94Å; T69-N71 PolarHBondContact O-N 2.84Å |
| 70 | F | 66 | Low | 65.2 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | trans | -86.4 | 108.3 | -178.1 | -168.3 | -95.5 | 0 | 0 | 0 | 111.2 | S67 | S67-F70 WeakPolarHBondContact O-CB 3.42Å; S67-F70 PolarHBondContact O-N 3.25Å | ||
| 71 | N | 64.9 | Low | 63.8 | Low | 136 Ų | 136 | 128.7 Ų | 128.7 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 137 | 173.1 | -72.1 | -16.2 | 0 | 0 | 0 | 110.3 | T69 Y73 | T69-N71 PolarHBondContact O-N 2.84Å; N71-Y73 PolarHBondContact O-N 3.38Å |
| 72 | P | 65.7 | Low | 62.5 | Low | 105 Ų | 105 | 131 Ų | 131 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 138.9 | 172.3 | -21.3 | 31.3 | 0 | 0 | 0 | 111.1 | T74 | P72-T74 PolarHBondContact O-N 2.83Š|
| 73 | Y | 61.2 | Low | 60.8 | Low | 192 Ų | 192 | 127 Ų | 127 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 122 | 171.3 | -169.4 | -90.6 | 0 | 0 | 0 | 109.2 | N71 | N71-Y73 PolarHBondContact O-N 3.38Š|
| 74 | T | 57 | Low | 59.5 | Low | 109 Ų | 109 | 130.8 Ų | 130.8 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | -110.4 | 128.9 | 175.5 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | P72 P76 | P72-T74 PolarHBondContact O-N 2.83Å; T74-P76 WeakPolarHBondContact O-CD 3.36Å | ||
| 75 | C | 50.3 | Low | 58.7 | Low | 96 Ų | 96 | 129.5 Ų | 129.5 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | -72.1 | 113.8 | 165.6 | -65.3 | 0 | 0 | 0 | 0 | 107.8 | V77 | C75-V77 PolarHBondContact O-N 3.46Š| ||
| 76 | P | 60 | Low | 58 | Low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 73% | 0.726 | S | S | * | * | trans | -64.7 | 121.7 | 171.6 | 26.5 | -30.7 | 0 | 0 | 0 | 107.8 | T74 S78 | T74-P76 WeakPolarHBondContact O-CD 3.36Å; P76-S78 PolarHBondContact O-N 3.12Å | ||
| 77 | V | 60.1 | Low | 57.5 | Low | 134 Ų | 134 | 127.7 Ų | 127.7 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | trans | -68 | 101.2 | 165.7 | -130.9 | 0 | 0 | 0 | 0 | 105.2 | C75 N79 | C75-V77 PolarHBondContact O-N 3.46Å; V77-N79 PolarHBondContact O-N 3.19Å | ||
| 78 | S | 58.4 | Low | 56.7 | Low | 89 Ų | 89 | 131.2 Ų | 131.2 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | trans | -60.6 | 120.8 | 158 | 39.3 | 0 | 0 | 0 | 0 | 105.2 | P76 I80 | P76-S78 PolarHBondContact O-N 3.12Å; S78-I80 PolarHBondContact O-N 3.17Å | ||
| 79 | N | 48 | Very low | 55.8 | Low | 158 Ų | 158 | 132.5 Ų | 132.5 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | -57.4 | 99 | 160.7 | -70.8 | -42 | 0 | 0 | 0 | 105 | V77 S81 | V77-N79 PolarHBondContact O-N 3.19Å; N79-S81 PolarHBondContact O-N 2.8Å | ||
| 80 | I | 49 | Very low | 54.5 | Low | 135 Ų | 135 | 133.5 Ų | 133.5 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | trans | -62.3 | 95 | 164.4 | -59.1 | 170.4 | 0 | 0 | 0 | 103 | S78 P82 | S78-I80 PolarHBondContact O-N 3.17Å; I80-P82 WeakPolarHBondContact O-CD 3.21Å | ||
| 81 | S | 44.3 | Very low | 53.6 | Low | 73 Ų | 73 | 132.1 Ų | 132.1 | 51% | 0.51 | 74% | 0.741 | S | S | . | * | trans | -65 | 115.1 | 172.1 | -169.9 | 0 | 0 | 0 | 0 | 105.7 | N79 N83 | N79-S81 PolarHBondContact O-N 2.8Å; S81-N83 VanDerWaalsContact C-N 3.27Å; S81-N83 PolarHBondContact O-N 2.91Å; S81-N83 PolarHBondContact OG-ND2 2.95Å | ||
| 82 | P | 46.4 | Very low | 52.8 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -76.1 | 88.7 | 175.9 | 30.2 | -26.5 | 0 | 0 | 0 | 106.6 | I80 | I80-P82 WeakPolarHBondContact O-CD 3.21Š| ||
| 83 | N | 41.5 | Very low | 51.7 | Low | 124 Ų | 124 | 134.1 Ų | 134.1 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | trans | -116.9 | 103.1 | 175.4 | -75.2 | -25.5 | 0 | 0 | 0 | 109.5 | S81 | S81-N83 VanDerWaalsContact C-N 3.27Å; S81-N83 PolarHBondContact O-N 2.91Å; S81-N83 PolarHBondContact OG-ND2 2.95Å | ||
| 84 | H | 44.1 | Very low | 50.8 | Low | 265 Ų | 265 | 128.8 Ų | 128.8 | 100% | 1.227 | 75% | 0.746 | S | S | * | * | trans | 47.1 | 0 | 144.9 | -80.6 | -63.7 | 0 | 0 | 0 | 120.1 |
Retrieved 84 of 84 residues in 29.7 ms
(Link to these results)